3-[tert-butyl(dimethyl)silyl]-2,7-dimethyl-2H-pyrano[3,2-c]pyran-5-one

C16H24O3Si — CID 58429912

IUPAC3-[tert-butyl(dimethyl)silyl]-2,7-dimethyl-2H-pyrano[3,2-c]pyran-5-one
SMILESCc1cc2c(c(=O)o1)C=C([Si](C)(C)C(C)(C)C)C(C)O2
InChIInChI=1S/C16H24O3Si/c1-10-8-13-12(15(17)18-10)9-14(11(2)19-13)20(6,7)16(3,4)5/h8-9,11H,1-7H3
InChIKeyHNJRDWKNSRNZJD-UHFFFAOYSA-N
MW292.45 g/mol
LogP4.16
Rot. Bonds1

About 3-[tert-butyl(dimethyl)silyl]-2,7-dimethyl-2H-pyrano[3,2-c]pyran-5-one

3-[tert-butyl(dimethyl)silyl]-2,7-dimethyl-2H-pyrano[3,2-c]pyran-5-one (PubChem CID 58429912) has the molecular formula C16H24O3Si and a molecular weight of 292.45 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]-2,7-dimethyl-2H-pyrano[3,2-c]pyran-5-one.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]-2,7-dimethyl-2H-pyrano[3,2-c]pyran-5-one
PubChem CID58429912
Molecular FormulaC16H24O3Si
Molecular Weight292.45 g/mol
Exact Mass292.15
IUPAC Name3-[tert-butyl(dimethyl)silyl]-2,7-dimethyl-2H-pyrano[3,2-c]pyran-5-one
SMILESCc1cc2c(c(=O)o1)C=C([Si](C)(C)C(C)(C)C)C(C)O2
InChIInChI=1S/C16H24O3Si/c1-10-8-13-12(15(17)18-10)9-14(11(2)19-13)20(6,7)16(3,4)5/h8-9,11H,1-7H3
InChIKeyHNJRDWKNSRNZJD-UHFFFAOYSA-N
XLogP4.16
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.45
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 3-[tert-butyl(dimethyl)silyl]-2,7-dimethyl-2H-pyrano[3,2-c]pyran-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]-2,7-dimethyl-2H-pyrano[3,2-c]pyran-5-one?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]-2,7-dimethyl-2H-pyrano[3,2-c]pyran-5-one (CID 58429912) is 3-[tert-butyl(dimethyl)silyl]-2,7-dimethyl-2H-pyrano[3,2-c]pyran-5-one.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]-2,7-dimethyl-2H-pyrano[3,2-c]pyran-5-one?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]-2,7-dimethyl-2H-pyrano[3,2-c]pyran-5-one is Cc1cc2c(c(=O)o1)C=C([Si](C)(C)C(C)(C)C)C(C)O2.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]-2,7-dimethyl-2H-pyrano[3,2-c]pyran-5-one?
The InChIKey is HNJRDWKNSRNZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3Si/c1-10-8-13-12(15(17)18-10)9-14(11(2)19-13)20(6,7)16(3,4)5/h8-9,11H,1-7H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]-2,7-dimethyl-2H-pyrano[3,2-c]pyran-5-one?
3-[tert-butyl(dimethyl)silyl]-2,7-dimethyl-2H-pyrano[3,2-c]pyran-5-one has a molecular weight of 292.45 g/mol, XLogP of 4.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]-2,7-dimethyl-2H-pyrano[3,2-c]pyran-5-one is sourced from PubChem (CID 58429912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).